UPCMLD0ENAT5815109:001
TL;DR: UPCMLD0ENAT5815109:001 (CAS 886887-83-8) is a chemical compound with molecular formula C21H32N6O2 and molecular weight 400.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-butyl-4,7,8-trimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione
Also Known As: UPCMLD0ENAT5815109:001, 6-butyl-4,7,8-trimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione, 8-butyl-1,6,7-trimethyl-3-[2-(1-piperidinyl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 8-butyl-1,6,7-trimethyl-3-(2-piperidylethyl)-1,3,5-trihydro-4-imidazolino[1,2- h]purine-2,4-dione, 8-butyl-1,6,7-trimethyl-3-[2-(piperidin-1-yl)ethyl]-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione
| Molecular Formula | C21H32N6O2 |
|---|---|
| Molecular Weight | 400.26 g/mol |
| LogP | 2.05224 |
| Topological Polar Surface Area | 69.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.25867 |
| Heavy Atoms | 29 |
| Complexity | 1156.4408 |
Chemical Identifiers
| CAS Number | 886887-83-8 |
|---|---|
| SMILES | CCCCN1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)CCN4CCCCC4)C)C |
Product Overview
UPCMLD0ENAT5815109:001 (CAS 886887-83-8), with molecular formula C21H32N6O2 and molecular weight 400.26 g/mol. IUPAC: 6-butyl-4,7,8-trimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of UPCMLD0ENAT5815109:001
Property Insights of UPCMLD0ENAT5815109:001
The XLogP value of 2.05224 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5815109:001. The TPSA of 69.47 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5815109:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5815109:001 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5815109:001?
The CAS number of UPCMLD0ENAT5815109:001 is 886887-83-8.
What is the molecular formula of UPCMLD0ENAT5815109:001?
The molecular formula of UPCMLD0ENAT5815109:001 is C21H32N6O2.
What is the molecular weight of UPCMLD0ENAT5815109:001?
The molecular weight of UPCMLD0ENAT5815109:001 is 400.26 g/mol.
Where can I buy UPCMLD0ENAT5815109:001?
You can request a quote for UPCMLD0ENAT5815109:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5815109:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5815109:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.